825 citations · 926 across the 4 of their papers we have counts for
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stat.ML2018★ 100 cited
Visualizing Convolutional Neural Network Protein-Ligand Scoring
Joshua Hochuli, Alec Helbling, Tamar Skaist +2
Protein-ligand scoring is an important step in a structure-based drug design pipeline. Selecting a correct binding pose and predicting the binding affinity of a protein-ligand comp…
stat.ML2016★ 825 cited
Protein-Ligand Scoring with Convolutional Neural Networks
Matthew Ragoza, Joshua Hochuli, Elisa Idrobo +2
Computational approaches to drug discovery can reduce the time and cost associated with experimental assays and enable the screening of novel chemotypes. Structure-based drug desig…